Chemical Properties of Ergosta-5,24(28)-dien-3-ol, (3«beta»)- (CAS 474-63-5)

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20?,22-,23?,24?,25?,26?,27?,28?/m1/s1

InChI Key

INDVLXYUCBVVKW-DMFCSKGGSA-N

Formula

C28H46O

SMILES

C=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

398.66

CAS

474-63-5

Other Names

• Ergosta-5,24(28)-dien-3«beta»-ol
• Chalinasterol
• Cholesterol, 24-methylene-
• Ostreasterol
• 24-Methylenecholesterol
• 24-Methylencholesterol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.22	kJ/mol	Joback Calculated Property
ΔvapH°	149.39	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	7.555		Crippen Calculated Property
McVol	359.210	ml/mol	McGowan Calculated Property
Inp	[3095.00; 3155.00]
Inp	3108.00		NIST
Inp	3117.00		NIST
Inp	3135.00		NIST
Inp	3095.00		NIST
Inp	3121.00		NIST
Inp	3108.00		NIST
Inp	3136.00		NIST
Inp	3133.00		NIST
Inp	3108.00		NIST
Inp	3117.00		NIST
Inp	3135.00		NIST
Inp	3155.00		NIST
Inp	3108.00		NIST
Inp	3135.00		NIST
Inp	3155.00		NIST
Tboil	696.28	K	Relay (1.0) Calculated Property
Tfus	404.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.47; 1382.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.09978e+02
Coefficient B			3.63400e+00
Coefficient C			-3.02944e-03
Coefficient D			1.08840e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	478.47	J/mol×K	273.00	Calculated Property
Cp,gas	644.68	J/mol×K	353.78	Calculated Property
Cp,gas	786.44	J/mol×K	434.56	Calculated Property
Cp,gas	907.17	J/mol×K	515.33	Calculated Property
Cp,gas	1010.34	J/mol×K	596.11	Calculated Property
Cp,gas	1099.36	J/mol×K	676.89	Calculated Property
Cp,gas	1177.70	J/mol×K	757.67	Calculated Property
Cp,gas	1248.79	J/mol×K	838.44	Calculated Property
Cp,gas	1316.07	J/mol×K	919.22	Calculated Property
Cp,gas	1382.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ergosta-5,24(28)-dien-3-ol, (3«beta»)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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